Geometry & MOs

Info

ID:	70386
PubChem CID:	48413274
Reduced:	SN3O4C16H23 (1)
Stoich.:	AB3C4D16E23 (1)
Weight, g/mol:	339.125277
ΔH_f, kcal/mol:	-100.02
Dipole, Da:	2.27
IP(EA), eV:	-8.4(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)ethanesulfonamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N(CC1=C(C=CC(=C1)OC)OC)C2=CN(N=C2)C

DOS

IR

Vibrations